[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol

C12H17NO — CID 105445343

IUPAC[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol
SMILESNC1(CCc2ccc(CO)cc2)CC1
InChIInChI=1S/C12H17NO/c13-12(7-8-12)6-5-10-1-3-11(9-14)4-2-10/h1-4,14H,5-9,13H2
InChIKeyINOYYJMPFSWWQX-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.60
Rot. Bonds4

About [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol

[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol (PubChem CID 105445343) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol
PubChem CID105445343
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol
SMILESNC1(CCc2ccc(CO)cc2)CC1
InChIInChI=1S/C12H17NO/c13-12(7-8-12)6-5-10-1-3-11(9-14)4-2-10/h1-4,14H,5-9,13H2
InChIKeyINOYYJMPFSWWQX-UHFFFAOYSA-N
XLogP1.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(1-aminocyclopropyl)ethyl]phenyl]ethanol
CID 105457995
1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
CID 67420694
1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine
CID 105457986
[4-[2-(1-aminocyclopropyl)ethyl]-2-pyridinyl]methanol
CID 105446398
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
CID 117116056
1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 115074168
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-(2-naphthalen-2-ylethyl)cyclopropan-1-amine
CID 23106122
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine
CID 83913067
1-[3-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 83907225
4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol
CID 105484504

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol?
The IUPAC name of [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol (CID 105445343) is [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol?
The canonical SMILES for [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol is NC1(CCc2ccc(CO)cc2)CC1.
What is the InChIKey of [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol?
The InChIKey is INOYYJMPFSWWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(7-8-12)6-5-10-1-3-11(9-14)4-2-10/h1-4,14H,5-9,13H2.
What are the key properties of [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol?
[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol is sourced from PubChem (CID 105445343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).